SCHEMBL28041534

SCHEMBL28041534

CO[C@@H](C)[C@@H](NC(=O)O)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CTSA P10619 2/20 0.37
MC4R P32245 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28041588 0.85 CNR2 (0.41) MEN1KMT2AGAACNR2ALDH1A1
SCHEMBL28041750 0.83 KEAP1 (0.37) KMT2AGAAALDH1A1LMNA
SCHEMBL16054823 0.83 KEAP1 (0.37) KMT2AGAAALDH1A1LMNA
SCHEMBL16054881 0.83 GAA (0.46) MEN1KMT2AGAACNR2ALDH1A1
SCHEMBL15067314 0.82 POLB (0.41) MEN1KMT2ACTSA
SCHEMBL28990587 0.81 GAA (0.43) MEN1KMT2AGAACNR2ALDH1A1
SCHEMBL25375819 0.77 GAA (0.50) MEN1KMT2AGAACNR2LMNA
SCHEMBL27992149 0.76 CNR2 (0.46) MEN1KMT2AGAACNR2ALDH1A1
SCHEMBL28041751 0.74 GAA (0.40) MEN1KMT2AGAACNR2ALDH1A1
SCHEMBL6392149 0.72 GAA (0.51) MEN1KMT2AGAACNR2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111419830-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes 比皮艾思药物研发有限公司 2020-07-17 CN disclosed
CN-105209027-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes BIO PHARM SOLUTIONS CO LTD 2015-12-30 CN disclosed